2-甲基-2,4-戊二醇
TL;DR: 2-甲基-2,4-戊二醇 (CAS 107-41-5) is a chemical compound with molecular formula C6H14O2 and molecular weight 118.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲基-2,4-戊二醇
2-methylpentane-2,4-diol
Also Known As: Hexylene glycol, 2-METHYL-2,4-PENTANEDIOL, 2-Methylpentane-2,4-diol, Pinakon, Diolane
| Molecular Formula | C6H14O2 |
|---|---|
| Molecular Weight | 118.10 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 118.09938 |
| Heavy Atoms | 8 |
| Complexity | 68.0 |
| Melting Point | -50.0 °C |
| Boiling Point | 197.2 °C at 760 mmHg |
| Density | 0.923 at 20.0 °C - Less dense than water; will float |
| Solubility | Miscible (NIOSH, 2024) |
| Flash Point | 93.3 °C |
| Vapor Pressure | 0.05 mmHg |
| Refractive Index | 1.4276 at 20 °C |
Chemical Identifiers
| CAS Number | 107-41-5 |
|---|---|
| SMILES | CC(CC(C)(C)O)O |
| InChIKey | SVTBMSDMJJWYQN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基-2,4-戊二醇 (CAS 107-41-5), with molecular formula C6H14O2 and molecular weight 118.10 g/mol. IUPAC: 2-methylpentane-2,4-diol.
Chemical Property Profile of 2-甲基-2,4-戊二醇
Property Insights of 2-甲基-2,4-戊二醇
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲基-2,4-戊二醇. With a topological polar surface area (TPSA) of 40.5 Ų, 2-甲基-2,4-戊二醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-甲基-2,4-戊二醇 has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-甲基-2,4-戊二醇?
The CAS number of 2-甲基-2,4-戊二醇 is 107-41-5.
What is the molecular formula of 2-甲基-2,4-戊二醇?
The molecular formula of 2-甲基-2,4-戊二醇 is C6H14O2.
What is the molecular weight of 2-甲基-2,4-戊二醇?
The molecular weight of 2-甲基-2,4-戊二醇 is 118.10 g/mol.
Where can I buy 2-甲基-2,4-戊二醇?
You can request a quote for 2-甲基-2,4-戊二醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基-2,4-戊二醇?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基-2,4-戊二醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.